5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine

C15H20N2O — CID 79412877

IUPAC5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1CCCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-7-13-14(18-17-15(13)16)11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,16,17)
InChIKeyPDFUSZSXYKOANR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.38
Rot. Bonds6

About 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine

5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 79412877) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID79412877
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1CCCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-7-13-14(18-17-15(13)16)11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,16,17)
InChIKeyPDFUSZSXYKOANR-UHFFFAOYSA-N
XLogP3.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-propyl-1,2-oxazol-3-amine
CID 66198038
butylbenzene;propylbenzene
CID 142022125
5-(cyclopentylmethyl)-4-propyl-1,2-oxazol-3-amine
CID 79412982
4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
CID 66199050
butylbenzene;hydroxylamine
CID 175142403
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
5-(5-chlorofuran-2-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690686
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine (CID 79412877) is 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1CCCc1ccccc1.
What is the InChIKey of 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is PDFUSZSXYKOANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-7-13-14(18-17-15(13)16)11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,16,17).
What are the key properties of 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine?
5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 244.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79412877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).